(Q105094979)

English

CID 5281927

group of stereoisomers with the chemical formula C₃₀H₁₉NO₉

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Statements

instance of

group of stereoisomers

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537.1059811879999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₁₉NO₉

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canonical SMILES

O=C(O)C1=C(OC)C2C#CC=CC#CC3NC4=C5C(=O)C=6C(O)=CC=C(O)C6C(=O)C5=C(O)C=C4C72OC37C1C

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isomeric SMILES

COC1=C(C(=O)O)[C@H](C)[C@@]23O[C@]24c2cc(O)c5c(c2NC3C#C/C=C\C#C[C@@H]14)C(=O)c1c(O)ccc(O)c1C5=O

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Identifiers

InChI

InChI=1S/C30H19NO9/c1-12-19(28(37)38)27(39-2)13-7-5-3-4-6-8-18-29(12)30(13,40-29)14-11-17(34)22-23(24(14)31-18)26(36)21-16(33)10-9-15(32)20(21)25(22)35/h3-4,9-13,18,31-34H,1-2H3,(H,37,38)/b4-3-/t12-,13-,18?,29-,30+/m0/s1

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InChIKey

AFMYMMXSQGUCBK-CWSCUYGGSA-N

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26 December 2021

mapping relation type

exact match

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stated in

ChEBI release 2021-03-01

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(Q105094979)

CID 5281927

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